Chlorine in PDB 4llh: Substrate Bound Outward-Open State of the Symporter Betp

The structure of Substrate Bound Outward-Open State of the Symporter Betp, PDB code: 4llh was solved by C.Perez, B.Faust, C.Ziegler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.30 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	115.470, 129.690, 164.650, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 29

The structure of Substrate Bound Outward-Open State of the Symporter Betp also contains other interesting chemical elements:

Arsenic	(As)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Substrate Bound Outward-Open State of the Symporter Betp (pdb code 4llh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Substrate Bound Outward-Open State of the Symporter Betp, PDB code: 4llh:

Chlorine binding site 1 out of 1 in the Substrate Bound Outward-Open State of the Symporter Betp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Substrate Bound Outward-Open State of the Symporter Betp within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:37.7 occ:1.00 NH1 C:ARG210 3.1 19.7 1.0 CG1 C:ILE549 3.4 0.4 1.0 N C:ARG126 3.6 26.0 1.0 NH2 C:ARG210 3.6 23.0 1.0 N C:ASP131 3.7 39.2 1.0 CZ C:ARG210 3.8 22.6 1.0 CB C:ARG126 3.9 19.1 1.0 CA C:ILE130 3.9 34.3 1.0 O C:HOH710 3.9 27.6 1.0 CG2 C:ILE130 4.0 21.9 1.0 CD1 C:ILE549 4.2 0.6 1.0 CA C:ARG126 4.3 22.3 1.0 C C:ILE130 4.3 39.1 1.0 CA C:ILE125 4.3 24.6 1.0 C C:ILE125 4.4 24.8 1.0 CB C:ILE549 4.4 0.3 1.0 CB C:ILE130 4.4 24.5 1.0 O C:THR124 4.6 40.5 1.0 CA C:ASP131 4.7 36.2 1.0 O C:ARG126 4.7 41.1 1.0 CG2 C:ILE549 4.7 0.3 1.0 CG1 C:ILE130 4.8 16.4 1.0 O C:ARG129 4.8 33.3 1.0 CD C:ARG126 4.9 28.9 1.0 N C:ILE130 4.9 34.4 1.0 CG C:ARG126 5.0 27.3 1.0

C.Perez, B.Faust, A.R.Mehdipour, K.A.Francesconi, L.R.Forrest, C.Ziegler. Substrate-Bound Outward-Open State of the Betaine Transporter Betp Provides Insights Into Na(+) Coupling. Nat Commun V. 5 4231 2014.
ISSN: ESSN 2041-1723
PubMed: 25023443
DOI: 10.1038/NCOMMS5231